Description
IUPAC Name: [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
InChI: InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+;/m1./s1
InChIKey: WTGQALLALWYDJH-WYHSTMEOSA-N
Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br
Isomeric SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br
Synonyms: Scopolamine hydrobromide; 114-49-8; Hyoscine hydrobromide; Scopolamine HBr; (-)-Scopolamine hydrobromide; Scopolamine (hydrobromide); Beldavrin; Scopamin; …
Botanical Source: Dature Stramonium Datura L